4-(Chloromethyl)-2-thiazolamine hydrochloride

C₄H₆Cl₂N₂SCAS 59608-97-8185.07 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₄H₆Cl₂N₂S
Molar mass: 185.07 g/mol
Exact mass: 183.9629 Da
Melting point: 141–143 °C
logP: 1.72Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59608-97-8

SMILES

Cl.N=c1[nH]c(CCl)cs1

InChIKey

NMAKJOWVEDTHOA-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
2-Thiazolamine, 4-(chloromethyl)-, monohydrochloride
4-(Chloromethyl)-1,3-thiazol-2-ylamine hydrochloride
4-(Chloromethyl)thiazol-2-ylamine hydrochloride
2-Amino-4-chloromethylthiazole monohydrochloride

Work with 4-(Chloromethyl)-2-thiazolamine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4-methylthiazole hydrochloride6142-15-048 % similar 2-Amino-4-thiazoleacetic acid29676-71-946 % similar 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-944 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-741 % similar 2-Amino-4-methylthiazole1603-91-439 % similar Ethyl 2-aminothiazole-4-carboxylate5398-36-737 % similar 4-(Trifluoromethyl)-2-thiazolamine349-49-536 % similar 4-(4-Chlorophenyl)-2-thiazolamine2103-99-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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